![sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate structure](/static/products/5499/54992-23-3.webp)
sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate
TL;DR: sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate (CAS 54992-23-3) is a chemical compound with molecular formula C13H8NNaO5 and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[2-(5-nitrofuran-2-yl)ethenyl]benzoate
Also Known As: Sodium nifurstyrenate, sodium 4-[(1E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate, sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate
| Molecular Formula | C13H8NNaO5 |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | -1.2743 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.03003 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 54992-23-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC2=CC=C(O2)[N+](=O)[O-])C(=O)[O-].[Na+] |
| InChIKey | FGNXRHWAZABZSZ-UHFFFAOYSA-M |
Product Overview
sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate (CAS 54992-23-3), with molecular formula C13H8NNaO5 and molecular weight 281.03 g/mol. IUPAC: sodium 4-[2-(5-nitrofuran-2-yl)ethenyl]benzoate.
Chemical Property Profile of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate
Property Insights of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate
The XLogP value of -1.2743 indicates that sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate. Following Lipinski's Rule of Five, sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate?
The CAS number of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate is 54992-23-3.
What is the molecular formula of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate?
The molecular formula of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate is C13H8NNaO5.
What is the molecular weight of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate?
The molecular weight of sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate is 281.03 g/mol.
Where can I buy sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate?
You can request a quote for sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for sodium,4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.